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CAS Number: 17126-65-7
ethyl 4-isothiocyanatobutanoate

Structure

 ethyl 4-isothiocyanatobutanoate
Name: ethyl 4-isothiocyanatobutanoate
Synonyms:
General Information
Product Number: 17126657

CAS Registry Number 17126-65-7
Name:
Butanoic acid, 4-?isothiocyanato-?, ethyl ester
Butyric acid, 4-isothiocyanato-, ethyl ester (8CI)
Ethyl 4-isothiocyanatobutanoate
Ethyl 4-isothiocyanatobutyrate

 

Chemical Formula: C7H11NO2S
Exact Mass: 173.05
Molecular Weight: 173.23
m/z: 173.05 (100.0%), 174.05 (8.7%), 175.05 (4.6%)

 

InChI:InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3

InChI Key:FAGABVVHWPYGBK-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CCCN=C=S

Specification

98%
References
  1. (1) Vinkler, Elemer; Acta Pharmaceutica Hungarica 1967, V37(6), P250-3 CAPLUS
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